2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-7-Oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Pentanoyl]Amino]Acetic Acid
[CAS# 75808-00-3]

Identification

• Name: 2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-7-Oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-17-Yl]Pentanoyl]Amino]Acetic Acid
• Synonyms: 2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-7-Oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]-1-Oxopentyl]Amino]Acetic Acid; 2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-Hydroxy-7-Keto-10,13-Dimethyl-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Pentanoyl]Amino]Acetic Acid; 2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-Dimethyl-7-Oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Pentanoyl]Amino]Ethanoic Acid
• Molecular Formula: C₂₆H₄₁NO₅
• Molecular Weight: 447.61
• CAS Registry Number: 75808-00-3
• SMILES: [C@]24([C@H]([C@@H]1C(C[C@H]3[C@@]([C@H]1CC2)(CC[C@@H](O)C3)C)=O)CC[C@@H]4[C@@H](CCC(NCC(=O)O)=O)C)C
• InChI: 1S/C26H41NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-20,24,28H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19+,20+,24+,25+,26-/m1/s1
• InChIKey: MOZIKWXTNVWDAB-JPNWVCBHSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 655.135°C at 760 mmHg (Cal.)
• Flash point: 350.013°C (Cal.)